[(3E)-3-methyl-4-(1-prop-2-ynylindol-2-yl)buta-1,3-dien-2-yl] methanesulfonate

Systemtic Name: [(3E)-3-methyl-4-(1-prop-2-ynylindol-2-yl)buta-1,3-dien-2-yl] methanesulfonate Openeye Name: [(E)-2-methyl-1-methylene-3-(1-prop-2-ynylindol-2-yl)allyl] methanesulfonate CAS Name: methanesulfonic acid [(3E)-3-methyl-4-(1-prop-2-ynyl-2-indolyl)buta-1,3-dien-2-yl] ester IUPAC Name: [(3E)-3-methyl-4-(1-prop-2-ynylindol-2-yl)buta-1,3-dien-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(E)-2-methyl-1-methylene-3-(1-propargylindol-2-yl)allyl] ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=CC=CC=C2N1CC#C)C(=C)OS(=O)(=O)C

Isomeric SMILES

C/C(=C\C1=CC2=CC=CC=C2N1CC#C)/C(=C)OS(=O)(=O)C

InChI

InChI=1S/C17H17NO3S/c1-5-10-18-16(12-15-8-6-7-9-17(15)18)11-13(2)14(3)21-22(4,19)20/h1,6-9,11-12H,3,10H2,2,4H3/b13-11+